6-ethyl-8-[3-(trifluoromethyl)phenyl]quinoline

C18H14F3N — CID 19381152

IUPAC6-ethyl-8-[3-(trifluoromethyl)phenyl]quinoline
SMILESCCc1cc(-c2cccc(C(F)(F)F)c2)c2ncccc2c1
InChIInChI=1S/C18H14F3N/c1-2-12-9-14-6-4-8-22-17(14)16(10-12)13-5-3-7-15(11-13)18(19,20)21/h3-11H,2H2,1H3
InChIKeyFVRHYXRNYZWUIQ-UHFFFAOYSA-N
MW301.31 g/mol
LogP5.48
Rot. Bonds2

About 6-ethyl-8-[3-(trifluoromethyl)phenyl]quinoline

6-ethyl-8-[3-(trifluoromethyl)phenyl]quinoline (PubChem CID 19381152) has the molecular formula C18H14F3N and a molecular weight of 301.31 g/mol. Its IUPAC name is 6-ethyl-8-[3-(trifluoromethyl)phenyl]quinoline.

Molecular Properties

Compound Name6-ethyl-8-[3-(trifluoromethyl)phenyl]quinoline
PubChem CID19381152
Molecular FormulaC18H14F3N
Molecular Weight301.31 g/mol
Exact Mass301.11
IUPAC Name6-ethyl-8-[3-(trifluoromethyl)phenyl]quinoline
SMILESCCc1cc(-c2cccc(C(F)(F)F)c2)c2ncccc2c1
InChIInChI=1S/C18H14F3N/c1-2-12-9-14-6-4-8-22-17(14)16(10-12)13-5-3-7-15(11-13)18(19,20)21/h3-11H,2H2,1H3
InChIKeyFVRHYXRNYZWUIQ-UHFFFAOYSA-N
XLogP5.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.31
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[3-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 134621668
2-fluoro-3-[3-(trifluoromethyl)phenyl]pyridine
CID 133089697
8-[2-methyl-4-(trifluoromethyl)phenyl]quinoline
CID 126516375
6-methyl-2-(6-methyl-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]pyridine
CID 163857045
8-bromo-6-ethylquinoline
CID 19381206
4-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 69406899
2-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 53218025
methyl 3-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 134634607
6-ethyl-8-methoxyquinoline
CID 137438692
2-methyl-8-[3-(trifluoromethyl)phenyl]quinoline
CID 67134010
3-[3-ethyl-5-(trifluoromethyl)phenyl]pyridine
CID 134532799
3-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde
CID 134621665

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-8-[3-(trifluoromethyl)phenyl]quinoline?
The IUPAC name of 6-ethyl-8-[3-(trifluoromethyl)phenyl]quinoline (CID 19381152) is 6-ethyl-8-[3-(trifluoromethyl)phenyl]quinoline.
What is the SMILES notation for 6-ethyl-8-[3-(trifluoromethyl)phenyl]quinoline?
The canonical SMILES for 6-ethyl-8-[3-(trifluoromethyl)phenyl]quinoline is CCc1cc(-c2cccc(C(F)(F)F)c2)c2ncccc2c1.
What is the InChIKey of 6-ethyl-8-[3-(trifluoromethyl)phenyl]quinoline?
The InChIKey is FVRHYXRNYZWUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N/c1-2-12-9-14-6-4-8-22-17(14)16(10-12)13-5-3-7-15(11-13)18(19,20)21/h3-11H,2H2,1H3.
What are the key properties of 6-ethyl-8-[3-(trifluoromethyl)phenyl]quinoline?
6-ethyl-8-[3-(trifluoromethyl)phenyl]quinoline has a molecular weight of 301.31 g/mol, XLogP of 5.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-8-[3-(trifluoromethyl)phenyl]quinoline is sourced from PubChem (CID 19381152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).